4-[1-(4-methylphenyl)sulfonylindol-2-yl]butyl ethanoate

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-2-yl]butyl ethanoate Openeye Name: 4-[1-(p-tolylsulfonyl)indol-2-yl]butyl acetate CAS Name: acetic acid 4-[1-(4-methylphenyl)sulfonyl-2-indolyl]butyl ester IUPAC Name: 4-[1-(4-methylphenyl)sulfonylindol-2-yl]butyl acetate Traditional Name: acetic acid 4-(1-tosylindol-2-yl)butyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2CCCCOC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2CCCCOC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-16-10-12-20(13-11-16)27(24,25)22-19(8-5-6-14-26-17(2)23)15-18-7-3-4-9-21(18)22/h3-4,7,9-13,15H,5-6,8,14H2,1-2H3